Basic information
- CAS
658-91-3- Standard SMILES
NC(=O)c1cccc(OC(F)(F)F)c1- InChIKey
RRANUIMYSXUNCN-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO2
- Average molar mass
- 205.13 g/mol
- Monoisotopic mass
- 205.03506292
Names & identifiers
- Preferred name
- 3-(Trifluoromethoxy)benzamide
- IUPAC
- 3-(trifluoromethoxy)benzamide
- English name
- 3-(Trifluoromethoxy)benzamide
- Molecular formula
- C8H6F3NO2
- Molecular weight
- 205.13
Names & synonyms
3-(Trifluoromethoxy)benzamide658-91-3DTXSID60334878RefChem:276036DTXCID10285967RRANUIMYSXUNCN-UHFFFAOYSA-NMFCD00041512benzamide, 3-(trifluoromethoxy)-3 - Trifluoromethoxy - benzamideSCHEMBL711132CHEMBL457051SCHEMBL7467641
Show more names
3-(Trifluoromethoxy)benzamide97%3-(Trifluoromethoxy)benzamide 97%
SCHEMBL21268167SCHEMBL29448761SBB037941AKOS005207125JS-4218ST085932DB-021752CS-0107221
Database identifiers
- CAS
658-91-3- PubChem CID
- 522189
- DTXSID
DTXSID60334878- ChEMBL
CHEMBL457051- EC Number
- 642-875-7
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 115 · 115-117°C
- Boiling point
- 233.8 · 233.8±40.0 °C(Predicted)
- Density
- 1.381 · 1.381±0.06 g/cm3(Predicted)
- pka
- 15.39 · 15.39±0.50(Predicted)
- form
- Solid
- BRN
- 2645012 · 2645012
- CAS DataBase Reference
- 658 · 658-91-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HazardClass
- IRRITANT
- HS Code
- 2924297099 · 2924297099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3-(Trifluoromethoxy)benzamide (CAS# 658-91-3) can be used for treatment of protozoal infections, as well as, c-Kit- and c-Fms- mediated diseases. It can also be used for antibacterial properties as it inhibitsthe bacterial cell division protein FtsZ.
Suppliers22 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
苏州筑研客生物医药有限公司15190025787 18550797660 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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